1-[2-[6-azanyl-8-[3-(dimethylamino)phenyl]-9-methyl-purin-2-yl]ethynyl]cyclohexan-1-ol

Systemtic Name: 1-[2-[6-azanyl-8-[3-(dimethylamino)phenyl]-9-methyl-purin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: 1-[2-[6-amino-8-[3-(dimethylamino)phenyl]-9-methyl-purin-2-yl]ethynyl]cyclohexanol CAS Name: 1-[2-[6-amino-8-[3-(dimethylamino)phenyl]-9-methyl-2-purinyl]ethynyl]-1-cyclohexanol IUPAC Name: 1-[2-[6-amino-8-[3-(dimethylamino)phenyl]-9-methylpurin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: 1-[2-[6-amino-8-[3-(dimethylamino)phenyl]-9-methyl-purin-2-yl]ethynyl]cyclohexanol Formula: C22H26N6O MolecularWeight: 390.48144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)N)N=C1C4=CC(=CC=C4)N(C)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)N)N=C1C4=CC(=CC=C4)N(C)C

InChI

InChI=1S/C22H26N6O/c1-27(2)16-9-7-8-15(14-16)20-26-18-19(23)24-17(25-21(18)28(20)3)10-13-22(29)11-5-4-6-12-22/h7-9,14,29H,4-6,11-12H2,1-3H3,(H2,23,24,25)